SCHEMBL6528317

SCHEMBL6528317

CCc1ccc(-c2noc(COc3ccc(CC(C(=O)OC)C(C)=NOCc4ccccc4)cc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.57
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
ADRB2 P07550 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARA Q07869 8/20 0.46
PPARG P37231 4/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARD Q03181 4/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
SMPD1 P17405 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6527202 0.93 FFAR1 (0.61) FFAR1RAB9APOLBADRB2HPGD
SCHEMBL6527206 0.93 FFAR1 (0.61) FFAR1RAB9APOLBADRB2HPGD
SCHEMBL6527752 0.86 FFAR1 (0.54) FFAR1RAB9APPARAPPARGNPC1
SCHEMBL6531129 0.85 FFAR1 (0.57) FFAR1SMN1; SMN2PPARAPPARGMAPT
SCHEMBL6531132 0.85 FFAR1 (0.57) FFAR1SMN1; SMN2PPARAPPARGMAPT
SCHEMBL6504738 0.80 FFAR1 (0.59) FFAR1RAB9APPARAPPARGNPC1
SCHEMBL6528289 0.80 FFAR1 (0.63) FFAR1RAB9ASMN1; SMN2PPARAPPARG
SCHEMBL6529368 0.79 FFAR1 (0.57) FFAR1PPARAPPARG
SCHEMBL6504947 0.79 FFAR1 (0.57) FFAR1PPARAPPARG
SCHEMBL6529517 0.77 FFAR1 (0.57) FFAR1RAB9APOLBADRB2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed